tetrahydro-4,6,6-trimethyl-2H-pyran-2-one
TL;DR: tetrahydro-4,6,6-trimethyl-2H-pyran-2-one (CAS 20628-36-8) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,6-trimethyloxan-2-one
Also Known As: 4,6,6-trimethyloxan-2-one, Tetrahydro-4,6,6-trimethyl-2H-pyran-2-one, 2H-Pyran-2-one,6,6-trimethyl-, 2H-Pyran-2-one, tetrahydro-4,6,6-trimethyl-, 4,6,6-Trimethyltetrahydro-2H-pyran-2-one
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 20628-36-8 |
|---|---|
| SMILES | CC1CC(=O)OC(C1)(C)C |
| InChIKey | LEEUQHSCWHVZQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tetrahydro-4,6,6-trimethyl-2H-pyran-2-one (CAS 20628-36-8), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 4,6,6-trimethyloxan-2-one.
Chemical Property Profile of tetrahydro-4,6,6-trimethyl-2H-pyran-2-one
Property Insights of tetrahydro-4,6,6-trimethyl-2H-pyran-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tetrahydro-4,6,6-trimethyl-2H-pyran-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, tetrahydro-4,6,6-trimethyl-2H-pyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tetrahydro-4,6,6-trimethyl-2H-pyran-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tetrahydro-4,6,6-trimethyl-2H-pyran-2-one?
The CAS number of tetrahydro-4,6,6-trimethyl-2H-pyran-2-one is 20628-36-8.
What is the molecular formula of tetrahydro-4,6,6-trimethyl-2H-pyran-2-one?
The molecular formula of tetrahydro-4,6,6-trimethyl-2H-pyran-2-one is C8H14O2.
What is the molecular weight of tetrahydro-4,6,6-trimethyl-2H-pyran-2-one?
The molecular weight of tetrahydro-4,6,6-trimethyl-2H-pyran-2-one is 142.10 g/mol.
Where can I buy tetrahydro-4,6,6-trimethyl-2H-pyran-2-one?
You can request a quote for tetrahydro-4,6,6-trimethyl-2H-pyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetrahydro-4,6,6-trimethyl-2H-pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for tetrahydro-4,6,6-trimethyl-2H-pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.